SCHEMBL188194

SCHEMBL188194

[CH2]c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
GPR84 Q9NQS5 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
AHR P35869 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIRT2 Q8IXJ6 2/20 0.48
SIRT1 Q96EB6 1/20 0.48
IMPDH2 P12268 2/20 0.48
CYP2A6 P11509 2/20 0.48
IMPDH1 P20839 1/20 0.48
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28101189 0.98 ATM (0.52) ATMGPR84MEN1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL28905061 0.98 ATM (0.52) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL1959661 0.91 ATM (0.47) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL1202543 0.74 IMPDH2 (0.63) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL28907736 0.73 ATM (0.52) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL2012509 0.72 ATM (0.56) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL2953261 0.72 ATM (0.56) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL17232879 0.71 GPR84 (0.62) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL555325 0.71 PARP1 (0.55) ATMMEN1CYP3A4KMT2AMAPT
SCHEMBL1959665 0.70 ATM (0.77) ATMGPR84MEN1CYP3A4KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 4994 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148272-A1 AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2024-07-11 WO claimed
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-04 US claimed
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US claimed
US-20240199661-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-20 US claimed
US-20240197666-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) K-GEN THERAPEUTICS, INC. (US) 2024-06-20 US claimed
US-12011454-B2 Nicotinamide mononucleotide derivatives and use thereof in the treatment and prevention of a red blood cell disorder NUVAMID SA (CH) 2024-06-18 US claimed
EP-4380577-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES FOR USE IN THE TREATMENT OF SAPHO SYNDROME Nuvamid SA (CH) 2024-06-12 EP claimed
CN-118165073-A FAP inhibitor and preparation method and application thereof 中国药科大学 2024-06-11 CN claimed
CN-118055943-A Cyclic peptide antibiotics 基因泰克公司 2024-05-17 CN claimed
CN-117946067-A Method for realizing deuteration methylation of nucleophile 南京工业大学 2024-04-30 CN claimed
US-4192882-A SUBSTITUTED INDOLES FOR RELIEVING ANGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-03-11 US claimed
EP-0007477-A1 1-(3-Mercapto-2-methylpropanoyl)prolyl amino acid derivatives and salts thereof, processes for their preparation, and pharmaceutical compositions containing such compounds Dainippon Pharmaceutical Co., Ltd. (JP) 1980-02-06 EP claimed
US-4154736-A Indolylalkylene amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US claimed
US-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US claimed
US-4123607-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1978-10-31 US claimed
US-4104371-A Psychopharmacologically active peptides and peptide-derivatives, and the use thereof AKZONA INCORPORATED (US) 1978-08-01 US claimed
US-4072698-A OPTICALLY ACTIVE ACIDS WITH KETONE OR ALDEHYDE CATALYST THE UPJOHN COMPANY (US) 1978-02-07 US claimed
US-4066661-A PROCESS FOR THE PREPARATION OF SUBSTITUTED TRICHLOROACETAMIDINE DERIVATIVES MERCK & CO., INC. (US) 1978-01-03 US claimed
US-4065465-A Process for the preparation of substituted trichloroacetamidine derivatives MERCK & CO., INC. (US) 1977-12-27 US claimed
US-4065464-A Process for the preparation of substituted trichloroacetamidine derivatives MERCK & CO., INC. (US) 1977-12-27 US claimed